SCHEMBL13351503

SCHEMBL13351503

CN(C)C(C)(N(C)C)n1nnc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.48
KEAP1 Q14145 1/20 0.48
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
ATM Q13315 2/20 0.44
CYP4Z1 Q86W10 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
THPO P40225 1/20 0.44
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DGAT1 O75907 1/20 0.41
PTPRC P08575 1/20 0.40
PTPN1 P18031 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7760804 0.81 SLC9A1 (0.55) SLC9A1KEAP1ALDH1A1MAPTATM
SCHEMBL10607208 0.78 SLC9A1 (0.52) SLC9A1KEAP1ALDH1A1MAPTATM
SCHEMBL25877503 0.78 SLC9A1 (0.52) SLC9A1KEAP1ALDH1A1MAPTATM
SCHEMBL5217736 0.77 SLC9A1 (0.47) SLC9A1KEAP1ALDH1A1MAPTATM
SCHEMBL13604172 0.77 GAA (0.50) SLC9A1KEAP1ALDH1A1MAPTATM
SCHEMBL15444316 0.75 SLC9A1 (0.53) SLC9A1KEAP1ALDH1A1MAPTATM
SCHEMBL13248923 0.75 SLC9A1 (0.48) SLC9A1KEAP1ALDH1A1MAPTATM
SCHEMBL21220894 0.74 SLC9A1 (0.52) SLC9A1KEAP1ALDH1A1MAPTATM
SCHEMBL10954907 0.74 SLC9A1 (0.47) SLC9A1KEAP1ALDH1A1MAPTATM
SCHEMBL15426054 0.74 SLC9A1 (0.47) SLC9A1KEAP1ALDH1A1MAPTATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144588-A1 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2010-06-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100144588-A1 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS PHAX, GIPR, IAPP SLC9A1 1246/4885KEAP1 4064/4885ALDH1A1 4716/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.